CID 139594893

Mhpfso4 n=3

Structural Information

Molecular Formula
C6H8F6O4S
SMILES
C(C(F)F)C(CC(COS(=O)(=O)O)(F)F)(F)F
InChI
InChI=1S/C6H8F6O4S/c7-4(8)1-5(9,10)2-6(11,12)3-16-17(13,14)15/h4H,1-3H2,(H,13,14,15)
InChIKey
FHLZBZHHJOUHOH-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.00476 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01204 175.3
[M+Na]+ 312.99398 176.4
[M+NH4]+ 308.03858 175.3
[M+K]+ 328.96792 173.6
[M-H]- 288.99748 164.8
[M+Na-2H]- 310.97943 171.5
[M]+ 290.00421 172.2
[M]- 290.00531 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.